| CAS Number | 907609-06-7 |
| Catalog Number | AG01DWTS |
| Chemical Name | 2-fluoro-6-(2,2,2-trifluoroethoxy)benzaldehyde |
| IUPAC Name | 2-fluoro-6-(2,2,2-trifluoroethoxy)benzaldehyde |
| InChI | InChI=1S/C9H6F4O2/c10-7-2-1-3-8(6(7)4-14)15-5-9(11,12)13/h1-4H,5H2 |
| InChI Key | QNQWATWCTLTYSE-UHFFFAOYSA-N |
| MDL Number | MFCD27932047 |
| Molecular Formula | C9H6F4O2 |
| Molecular Weight | 222.1364 |
| SMILES | FC1=C(C=O)C(OCC(F)(F)F)=CC=C1 |
| Synonyms | 907609-06-7,
Benzaldehyde, 2-fluoro-6-(2,2,2-trifluoroethoxy)-,
SCHEMBL5113698,
QNQWATWCTLTYSE-UHFFFAOYSA-N,
2-Fluoro-6-(2,2,2-trifluoroethoxy)benzaldehyde,
2-FLUORO-6-(2,2,2-TRIFLUOROETHOXY)-BENZALDEHYDE,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.139g/mol |
| Monoisotopic Mass | 222.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number